UCSF

ZINC42049727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 7.27 -15.27 1 4 0 51 324.302 6
Lo Low (pH 4.5-6) 2.64 7.72 -50.05 2 4 1 52 325.31 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )